Spiers Memorial Lecture: Mechanistic Non-Adiabatic Chemistry: Everything you always Wanted to Know About but Were Afraid to Ask

Q: What does this research mean for the field?

Mechanistic non-adiabatic chemistry relies on central concepts such as conical intersections and specific dynamics methods to accurately model chemical systems involving multiple potential energy surfaces. Novelty: ClaimNovelty.SYNTHESIS. Consensus alignment: ConsensusAlignment.NEUTRAL.

Mike A. Robb

doi:10.1039/d6fd00129g

September 2, 2026Faraday DiscussionsOpen Access

Spiers Memorial Lecture: Mechanistic Non-Adiabatic Chemistry: Everything you always Wanted to Know About but Were Afraid to Ask

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Key Points

To review the foundational concepts and dynamical simulation methods essential for analyzing non-adiabatic chemical processes involving multiple potential energy surfaces.
Examined theoretical frameworks governing non-adiabatic coupling, focusing on the topology and role of conical intersections.
Surveyed computational quantum dynamics and mixed quantum-classical trajectory methods used to model transitions between coupled electronic surfaces.
Highlighted conical intersections as primary, ultrafast radiationless decay funnels dictating non-adiabatic reaction outcomes.
Summarized the practical utility and computational constraints of multi-surface dynamics algorithms in modeling non-adiabatic photoinduced processes.

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Implication

Review explores core concepts and dynamics methods across multiple potential energy surfaces, highlighting pathways governing mechanistic non-adiabatic chemistry.

Abstract

We review the central concepts (e.g. conical intersections) of mechanistic non-adiabatic chemistry as well dynamics methods that can be used where more than one potential surface is involved. With the...

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Mike A. Robb (2026) studied this question.

synapsesocial.com/papers/6a9a85d25d9e33f25c631282 https://doi.org/10.1039/d6fd00129g

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Spiers Memorial Lecture: Mechanistic Non-Adiabatic Chemistry: Everything you always Wanted to Know About but Were Afraid to Ask

Key Points

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Implication

Abstract

Discussion

Cite This Study

Spiers Memorial Lecture: Mechanistic Non-Adiabatic Chemistry: Everything you always Wanted to Know About but Were Afraid to Ask

Key Points

Ask about this paper

Implication

Abstract

Discussion

Cite This Study

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